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    Also known as: 1255909-03-5, Hemay005, 4qx9bk9e7p, Hemay-005, Refchem:159992, Mufemilast [inn]
    Molecular Formula
    C20H22N2O7S2
    Molecular Weight
    466.5  g/mol
    InChI Key
    PRSNGWLHNWGOKD-CQSZACIVSA-N
    FDA UNII
    4QX9BK9E7P
    Mufemilast
    a PDE4 inhibitor for the treatment of psoriasis
    1 2D Structure

    Mufemilast

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide
    2.1.2 InChI
    InChI=1S/C20H22N2O7S2/c1-5-29-16-8-12(6-7-15(16)28-3)14(10-31(4,26)27)22-19(24)13-9-30-18(21-11(2)23)17(13)20(22)25/h6-9,14H,5,10H2,1-4H3,(H,21,23)/t14-/m1/s1
    2.1.3 InChI Key
    PRSNGWLHNWGOKD-CQSZACIVSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    4QX9BK9E7P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hemay005

    2.3.2 Depositor-Supplied Synonyms

    1. 1255909-03-5

    2. Hemay005

    3. 4qx9bk9e7p

    4. Hemay-005

    5. Refchem:159992

    6. Mufemilast [inn]

    7. Unii-4qx9bk9e7p

    8. Acetamide, N-(5-((1s)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-5,6-dihydro-4,6-dioxo-4h-thieno(3,4-c)pyrrol-1-yl)-

    9. Mufemilast [who-dd]

    10. Orb1687054

    11. Chembl5095240

    12. Schembl20580068

    13. Glxc-26950

    14. Da-55763

    15. Hy-145583

    16. Cs-0376450

    17. N-[5-[(1s)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide

    2.4 Create Date
    2019-03-16
    3 Chemical and Physical Properties
    Molecular Weight 466.5 g/mol
    Molecular Formula C20H22N2O7S2
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area156
    Heavy Atom Count31
    Formal Charge0
    Complexity813
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Dermatologic Agents

    Drugs used to treat or prevent skin disorders or for the routine care of skin.

    Phosphodiesterase 4 Inhibitors

    Compounds that specifically inhibit PHOSPHODIESTERASE 4.

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